NELMGW: Difference between revisions

Latest revision as of 12:23, 16 October 2024

NELMGW = [integer]
Default: NELMGW = 1

Description: NELMGW sets the number of self-consistent GW steps. Available as of 6.3.0.

This tag is effective for ALGO=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise. For instance

ALGO = EVGW0
NELMGW = 4

performs a partially self-consistent GW calculations, where $G$ is updated four times.

Omit NBANDS and NELM to select the single-step GW procedure.

@@ Line 1: / Line 1: @@
 {{TAGDEF|NELMGW|[integer]|1}}
-Description: Controls the number of self-consistent GW steps.
+Description: {{TAG|NELMGW}} sets the number of self-consistent GW steps.
 Available as of 6.3.0.
 ----
-This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] |  and ignored otherwise.
+This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise.
 For instance
-  NELMGW = 4 and ALGO = EVGW0
+  {{TAG|ALGO}} = EVGW0
-performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where G is updated four times.
+ {{TAG|NELMGW}} = 4
-All supported ALGO tags are described [[GW calculations|here]].
+performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where <math>G</math> is updated four times.
-Do not set {{TAG|NBANDS}} to select the [[GW calculations#GW_in_one_go|single step GW procedure]].
+Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single-step GW procedure]].
-This tag can be used in combination with {{TAG|NELM}}.
-=== Related Tags and Sections ===
+== Related tags and articles==
-{{TAG|ALGO}}
+{{TAG|ALGO}}, [[GW calculations]]
 {{sc|NELMGW|Examples|Examples that use this tag}}
@@ Line 22: / Line 21: @@
-[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]
+[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]